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Database

Databases for Cheminformatics

High quality databases are very important for cheminformatics model development. Herein, we release six ADME/Tox database including Blood Brain Barrier (BBB) Penetration Database, Human Intestinal Absorption (HIA) Database, Cytochrome P450 Inhibitors Databases, Tetrahymena pyriformis Toxicity Databases, Fathead minnow and honey bee Toxicity Database for public scientific community. These database are carefully collected from literature and others open source database, such as PubChem, EPA toxicity database etc. In the near future, more databases will be continuously added to our database collections. These databases are of interest to those involved in drug discovery, the environmental hazard assessment for benchmarking the results of experiments, validating the accuracy of existing ADME/Tox predictive models. The databases includes:

ADME Database

Toxicity Database

Biodegradation Data

Microarray Data